ethyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate

Systemtic Name: ethyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate Openeye Name: ethyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid ethyl ester Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C17H16N2O2/c1-2-21-17(20)12-7-9-14(10-8-12)19-11-13-5-3-4-6-15(13)16(19)18/h3-10,18H,2,11H2,1H3/p+1